1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

C24H23FN2O4S — CID 121156177

IUPAC1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C24H23FN2O4S/c1-16-12-21(13-24(28)27(16)20-8-9-20)31-22-14-26(15-22)32(29,30)23-10-4-18(5-11-23)17-2-6-19(25)7-3-17/h2-7,10-13,20,22H,8-9,14-15H2,1H3
InChIKeyQMNSLPJFQQKPQC-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.75
Rot. Bonds6

About 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121156177) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121156177
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C24H23FN2O4S/c1-16-12-21(13-24(28)27(16)20-8-9-20)31-22-14-26(15-22)32(29,30)23-10-4-18(5-11-23)17-2-6-19(25)7-3-17/h2-7,10-13,20,22H,8-9,14-15H2,1H3
InChIKeyQMNSLPJFQQKPQC-UHFFFAOYSA-N
XLogP3.75
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121156177) is 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(OC2CN(S(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is QMNSLPJFQQKPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c1-16-12-21(13-24(28)27(16)20-8-9-20)31-22-14-26(15-22)32(29,30)23-10-4-18(5-11-23)17-2-6-19(25)7-3-17/h2-7,10-13,20,22H,8-9,14-15H2,1H3.
What are the key properties of 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 454.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[4-(4-fluorophenyl)phenyl]sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121156177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).